Glycoside
GD140418
Name:
2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,2'-piperidin]-18-en-3'-oloxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C45H73O16NSmiles:
CC1CNC2(OC3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Aglycone:
CC1CNC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
CC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 884.07 | Num_heavy_atoms: | 62 |
| TPSA: | 258.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD48095
Formula: C27H43O3N
Smiles:
CC1CNC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 429.65 | Num_heavy_atoms: | 31 |
| TPSA: | 61.72 | NumAromaticRings: | 0 |
